2-cyclopentylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide

C16H22FNO2S — CID 90622923

IUPAC2-cyclopentylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide
SMILESCOC(CNC(=O)CSC1CCCC1)c1cccc(F)c1
InChIInChI=1S/C16H22FNO2S/c1-20-15(12-5-4-6-13(17)9-12)10-18-16(19)11-21-14-7-2-3-8-14/h4-6,9,14-15H,2-3,7-8,10-11H2,1H3,(H,18,19)
InChIKeyXWGQWIRVXPEDRU-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.31
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide

2-cyclopentylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide (PubChem CID 90622923) has the molecular formula C16H22FNO2S and a molecular weight of 311.42 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide
PubChem CID90622923
Molecular FormulaC16H22FNO2S
Molecular Weight311.42 g/mol
Exact Mass311.14
IUPAC Name2-cyclopentylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide
SMILESCOC(CNC(=O)CSC1CCCC1)c1cccc(F)c1
InChIInChI=1S/C16H22FNO2S/c1-20-15(12-5-4-6-13(17)9-12)10-18-16(19)11-21-14-7-2-3-8-14/h4-6,9,14-15H,2-3,7-8,10-11H2,1H3,(H,18,19)
InChIKeyXWGQWIRVXPEDRU-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide (CID 90622923) is 2-cyclopentylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide is COC(CNC(=O)CSC1CCCC1)c1cccc(F)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide?
The InChIKey is XWGQWIRVXPEDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2S/c1-20-15(12-5-4-6-13(17)9-12)10-18-16(19)11-21-14-7-2-3-8-14/h4-6,9,14-15H,2-3,7-8,10-11H2,1H3,(H,18,19).
What are the key properties of 2-cyclopentylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide?
2-cyclopentylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide has a molecular weight of 311.42 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide is sourced from PubChem (CID 90622923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).